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(S-(S),R)-(+)-O,O-DIETHYL-N-(PARA-TOLUENESULFINYL)-1-AMINO-5,5-(ETHYLENEDIOXY)-5-PHENYL-PENTYLPHOSPHONATE
SpectraBase Compound ID EBodIGYDlvf
InChI InChI=1S/2C24H34NO6PS/c2*1-4-30-32(26,31-5-2)23(25-33(27)22-15-13-20(3)14-16-22)12-9-17-24(28-18-19-29-24)21-10-7-6-8-11-21/h2*6-8,10-11,13-16,23,25H,4-5,9,12,17-19H2,1-3H3/t2*23-,33?/m11/s1
InChIKey NHNDIOVHWYIENL-UGVRNEPESA-N
Mol Weight 991.1 g/mol
Molecular Formula C48H68N2O12P2S2
Exact Mass 990.368892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6PvRzIUBuI9
Name (S-(S),R)-(+)-O,O-DIETHYL-N-(PARA-TOLUENESULFINYL)-1-AMINO-5,5-(ETHYLENEDIOXY)-5-PHENYL-PENTYLPHOSPHONATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H68N2O12P2S2
InChI InChI=1S/2C24H34NO6PS/c2*1-4-30-32(26,31-5-2)23(25-33(27)22-15-13-20(3)14-16-22)12-9-17-24(28-18-19-29-24)21-10-7-6-8-11-21/h2*6-8,10-11,13-16,23,25H,4-5,9,12,17-19H2,1-3H3/t2*23-,33?/m11/s1
InChIKey NHNDIOVHWYIENL-UGVRNEPESA-N
Literature Reference Author F.A.DAVIS,S.H.LEE,H.XU
Literature Reference Citation J.ORG.CHEM.,69,3774(2004)
Literature Reference DOI 10.1021/jo040127x
Molecular Weight 991.142 g/mol
Solvent CDCl3
Source File Reference UWVN21384